#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy n VAL 2 N 0.00 0.00 0.44 2.03 0.24 -1.26 -4.89 118.33 114.89 2ksy n VAL 2 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2ksy n VAL 2 Cb 0.00 -0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 3 N 1.63 -0.44 0.17 7.63 0.00 -1.26 -4.47 105.19 108.46 2ksy n GLY 3 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2ksy n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksy h LEU 4 N 0.00 0.52 -1.37 0.99 5.85 -1.99 -3.16 115.31 116.15 2ksy h LEU 4 Ca 0.00 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 2ksy h LEU 4 Cb 0.44 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ksy h LEU 4 CO 0.00 1.12 -0.10 0.71 -0.34 0.00 0.00 178.44 179.84 2ksy h THR 5 N 0.28 1.18 -0.87 1.05 1.35 -1.85 -2.66 112.91 111.38 2ksy h THR 5 Ca -0.04 -0.77 0.18 0.00 -0.55 0.00 0.00 66.41 65.23 2ksy h THR 5 Cb 1.39 1.14 -0.07 0.00 -1.73 0.00 0.00 68.15 68.88 2ksy h THR 5 CO 0.14 0.25 0.57 0.71 -0.25 0.00 0.00 175.52 176.94 2ksy h THR 6 N 0.29 0.73 0.33 6.82 1.35 -1.78 -1.74 112.91 118.92 2ksy h THR 6 Ca 0.06 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2ksy h THR 6 Cb 0.36 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2ksy h THR 6 CO 0.02 0.09 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.15 2ksy h LEU 7 N 0.48 -0.37 -1.73 3.87 -0.00 -1.62 -0.71 115.31 115.22 2ksy h LEU 7 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 2ksy h LEU 7 Cb 1.00 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2ksy h LEU 7 CO -0.18 -0.23 0.18 -0.26 -0.00 0.00 0.00 178.44 177.95 2ksy h PHE 8 N -0.48 0.34 -0.47 1.13 0.04 -1.47 -1.46 116.94 114.58 2ksy h PHE 8 Ca -0.04 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 2ksy h PHE 8 Cb 0.36 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2ksy h PHE 8 CO -0.04 0.22 -0.08 -1.49 -0.60 0.00 0.00 178.31 176.32 2ksy h TRP 9 N 0.37 0.98 0.26 -0.55 -0.00 -0.97 -2.02 115.95 114.01 2ksy h TRP 9 Ca 0.10 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.89 58.78 2ksy h TRP 9 Cb -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 28.88 2ksy h TRP 9 CO 0.00 0.95 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.20 2ksy h LEU 10 N 0.72 -0.29 -1.36 -4.49 3.38 -0.15 -2.10 115.31 111.01 2ksy h LEU 10 Ca 0.12 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.21 2ksy h LEU 10 Cb 0.62 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2ksy h LEU 10 CO 0.04 -0.14 0.57 1.23 0.09 0.00 0.00 178.44 180.23 2ksy h GLY 11 N -0.43 1.10 1.56 0.83 0.00 -1.29 0.20 103.07 105.04 2ksy h GLY 11 Ca -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2ksy h GLY 11 CO 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 176.54 176.65 2ksy h ALA 12 N 1.61 1.35 -0.09 3.60 0.00 -0.90 -1.56 119.26 123.27 2ksy h ALA 12 Ca 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ksy h ALA 12 Cb 0.84 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ksy h ALA 12 CO -0.20 0.45 0.00 0.82 0.00 0.00 0.00 179.25 180.32 2ksy h ILE 13 N 0.53 1.25 -0.28 0.00 2.04 0.02 -1.53 117.51 119.53 2ksy h ILE 13 Ca 0.11 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2ksy h ILE 13 Cb 0.34 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2ksy h ILE 13 CO 0.01 0.22 0.14 1.23 0.00 0.00 0.00 178.15 179.75 2ksy h GLY 14 N -0.11 0.41 0.97 5.37 0.00 -1.13 -2.10 103.07 106.49 2ksy h GLY 14 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2ksy h GLY 14 CO 0.00 0.17 -0.14 -0.33 0.00 0.00 0.00 176.54 176.24 2ksy h MET 15 N 0.39 0.75 -0.88 4.80 2.86 -1.07 -2.24 114.93 119.54 2ksy h MET 15 Ca 0.10 -0.31 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2ksy h MET 15 Cb 0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 2ksy h MET 15 CO -0.01 0.92 0.56 1.25 1.06 0.00 0.00 176.91 180.68 2ksy h LEU 16 N 0.54 0.90 0.08 1.22 5.85 -0.63 0.17 115.31 123.44 2ksy h LEU 16 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2ksy h LEU 16 Cb 0.67 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ksy h LEU 16 CO 0.05 0.60 -0.04 0.58 -0.34 0.00 0.00 178.44 179.28 2ksy h VAL 17 N 1.05 1.06 -0.04 1.05 2.07 -1.31 -2.63 116.25 117.50 2ksy h VAL 17 Ca 0.37 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2ksy h VAL 17 Cb 0.10 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2ksy h VAL 17 CO -0.15 0.13 0.02 1.23 0.02 0.00 0.00 177.57 178.82 2ksy h GLY 18 N -0.34 0.07 -0.02 2.17 0.00 -1.10 -1.52 103.07 102.33 2ksy h GLY 18 Ca -0.01 -0.03 0.20 0.00 0.00 0.00 0.00 47.33 47.49 2ksy h GLY 18 CO 0.02 0.03 0.49 -0.84 0.00 0.00 0.00 176.54 176.24 2ksy h THR 19 N -0.04 0.60 -0.03 4.70 2.02 -0.70 0.79 112.91 120.24 2ksy h THR 19 Ca 0.02 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2ksy h THR 19 Cb 0.10 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2ksy h THR 19 CO -0.00 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 2ksy h LEU 20 N 0.56 0.14 -2.03 2.58 3.38 -1.25 -0.78 115.31 117.90 2ksy h LEU 20 Ca 0.56 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ksy h LEU 20 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2ksy h LEU 20 CO -0.45 0.71 0.04 0.00 0.09 0.00 0.00 178.44 178.83 2ksy h ALA 21 N 0.43 2.01 0.07 1.53 0.00 -0.25 -0.83 119.26 122.22 2ksy h ALA 21 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2ksy h ALA 21 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ksy h ALA 21 CO 0.02 -0.06 -1.42 0.74 0.00 0.00 0.00 179.25 178.53 2ksy h PHE 22 N 0.00 0.26 0.04 0.00 0.04 -0.90 -3.24 116.94 113.13 2ksy h PHE 22 Ca 0.02 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 2ksy h PHE 22 Cb 0.09 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2ksy h PHE 22 CO 0.00 1.56 -0.02 0.00 -0.60 0.00 0.00 178.31 179.25 2ksy h ALA 23 N -0.19 -0.05 -0.62 2.45 0.00 -0.98 0.22 119.26 120.10 2ksy h ALA 23 Ca -0.33 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 23 Cb 1.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2ksy h ALA 23 CO -0.04 -0.51 0.38 2.35 0.00 0.00 0.00 179.25 181.43 2ksy h TRP 24 N -0.08 0.70 0.00 0.00 2.91 -1.35 -1.06 115.95 117.07 2ksy h TRP 24 Ca -0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2ksy h TRP 24 Cb 0.07 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.49 2ksy h TRP 24 CO -0.06 0.40 0.00 0.00 -1.03 0.00 0.00 178.44 177.74 2ksy h ALA 25 N 1.27 1.00 -0.02 2.65 0.00 -1.55 -3.25 119.26 119.36 2ksy h ALA 25 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ksy h ALA 25 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ksy h ALA 25 CO -0.11 0.00 -0.14 0.78 0.00 0.00 0.00 179.25 179.78 2ksy h GLY 26 N 3.13 0.15 1.55 0.00 0.00 0.72 -3.23 103.07 105.39 2ksy h GLY 26 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.17 2ksy h GLY 26 CO 0.00 0.19 0.17 3.21 0.00 0.00 0.00 176.54 180.12 2ksy h ARG 27 N -0.49 0.07 -3.85 4.80 2.47 -1.43 -3.32 114.38 112.63 2ksy h ARG 27 Ca -0.01 -0.00 -0.77 0.00 -1.26 0.00 0.00 59.98 57.93 2ksy h ARG 27 Cb 0.82 -0.02 -0.27 0.00 -1.65 0.00 0.00 29.97 28.85 2ksy h ARG 27 CO 0.03 0.05 -0.03 0.34 0.56 0.00 0.00 179.97 180.91 2ksy s ASP 28 N -6.70 6.43 0.10 7.04 2.15 -1.22 -4.98 116.67 119.49 2ksy s ASP 28 Ca -0.05 -2.57 -0.15 0.00 0.43 0.00 0.00 52.55 50.21 2ksy s ASP 28 Cb 0.18 -2.15 0.05 0.00 -0.30 0.00 0.00 42.92 40.70 2ksy s ASP 28 CO 0.70 -0.59 0.70 0.00 -0.17 0.00 0.00 175.17 175.82 2ksy n ALA 29 N 4.11 -1.86 -1.99 3.66 0.00 -1.25 -4.87 120.51 118.30 2ksy n ALA 29 Ca 0.08 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 2ksy n ALA 29 Cb 0.44 0.33 0.11 0.00 0.00 0.00 0.00 19.45 20.33 2ksy n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ksy s GLY 30 N -3.00 1.76 -0.07 0.00 0.00 -1.26 -5.02 107.32 99.73 2ksy s GLY 30 Ca 0.16 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 2ksy s GLY 30 CO 0.03 -1.17 0.96 -1.35 0.00 0.00 0.00 173.10 171.57 2ksy s SER 31 N -4.73 7.25 0.00 1.64 1.04 -1.26 -3.61 113.70 114.04 2ksy s SER 31 Ca 0.66 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.61 2ksy s SER 31 Cb -0.05 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2ksy s SER 31 CO 0.44 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2ksy n GLY 32 N 3.05 1.28 0.09 7.32 0.00 -1.26 -4.89 105.19 110.79 2ksy n GLY 32 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2ksy n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ksy n GLU 33 N -0.09 0.63 -0.17 1.61 -0.58 -1.24 -4.14 120.64 116.67 2ksy n GLU 33 Ca 0.00 0.14 0.29 0.00 -0.42 0.00 0.00 57.16 57.17 2ksy n GLU 33 Cb 0.00 -1.75 0.72 0.00 -0.57 0.00 0.00 31.44 29.84 2ksy n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksy h ARG 34 N 0.00 0.00 -0.34 3.49 3.08 -1.89 -0.20 114.38 118.52 2ksy h ARG 34 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2ksy h ARG 34 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.53 2ksy h ARG 34 CO 0.03 0.00 0.22 0.00 -1.07 0.00 0.00 179.97 179.15 2ksy h ARG 35 N 0.00 0.46 -0.02 0.04 2.47 -1.94 -0.82 114.38 114.56 2ksy h ARG 35 Ca 0.42 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 59.00 2ksy h ARG 35 Cb 1.75 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.96 2ksy h ARG 35 CO -0.00 0.33 -0.49 1.88 0.56 0.00 0.00 179.97 182.24 2ksy h TYR 36 N 0.45 0.07 0.25 3.04 0.05 -1.31 -2.54 116.97 116.97 2ksy h TYR 36 Ca 0.12 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2ksy h TYR 36 Cb -0.02 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2ksy h TYR 36 CO -0.05 0.53 -0.12 1.88 -1.05 0.00 0.00 178.16 179.36 2ksy h TYR 37 N 0.04 -0.31 -0.85 4.88 0.05 -1.18 -1.54 116.97 118.06 2ksy h TYR 37 Ca -0.00 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.88 0.10 -0.06 0.00 1.01 0.00 0.00 36.73 38.67 2ksy h TYR 37 CO 0.00 0.07 0.56 0.28 -1.05 0.00 0.00 178.16 178.02 2ksy h VAL 38 N -0.86 1.03 -0.16 -2.88 2.07 -1.21 -0.57 116.25 113.67 2ksy h VAL 38 Ca -0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2ksy h VAL 38 Cb 0.51 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2ksy h VAL 38 CO 0.06 0.17 0.06 0.74 0.02 0.00 0.00 177.57 178.61 2ksy h THR 39 N 0.92 1.17 -0.29 2.57 2.02 -1.47 -0.89 112.91 116.93 2ksy h THR 39 Ca 0.38 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 67.08 2ksy h THR 39 Cb 0.28 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2ksy h THR 39 CO -0.14 0.16 0.09 0.25 0.37 0.00 0.00 175.52 176.24 2ksy h LEU 40 N 0.09 0.09 -1.50 2.58 5.85 -0.40 -1.37 115.31 120.64 2ksy h LEU 40 Ca 0.05 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2ksy h LEU 40 Cb 0.19 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2ksy h LEU 40 CO -0.00 0.09 0.25 0.58 -0.34 0.00 0.00 178.44 179.01 2ksy h VAL 41 N 0.21 1.13 -0.99 1.05 2.07 -1.03 -2.15 116.25 116.55 2ksy h VAL 41 Ca 0.13 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 41 Cb 0.11 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2ksy h VAL 41 CO -0.14 0.14 0.65 1.23 0.02 0.00 0.00 177.57 179.47 2ksy h GLY 42 N 0.65 1.39 0.75 2.17 0.00 -0.03 -0.32 103.07 107.67 2ksy h GLY 42 Ca 0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2ksy h GLY 42 CO -0.03 0.51 -0.14 -2.22 0.00 0.00 0.00 176.54 174.66 2ksy h ILE 43 N 1.34 0.74 0.00 2.60 2.04 -0.99 -1.06 117.51 122.19 2ksy h ILE 43 Ca 0.36 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ksy h ILE 43 Cb -0.15 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2ksy h ILE 43 CO -0.08 0.10 -0.01 0.28 0.00 0.00 0.00 178.15 178.44 2ksy h SER 44 N -0.65 0.00 0.01 1.72 0.02 -1.36 -2.12 113.55 111.18 2ksy h SER 44 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2ksy h SER 44 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2ksy h SER 44 CO 0.07 0.01 -0.01 1.23 -1.14 0.00 0.00 176.83 176.99 2ksy h GLY 45 N 0.05 -0.02 1.02 -3.77 0.00 -0.85 -2.60 103.07 96.90 2ksy h GLY 45 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 2ksy h GLY 45 CO 0.00 -0.01 0.59 0.16 0.00 0.00 0.00 176.54 177.28 2ksy h ILE 46 N -0.94 1.16 -0.26 2.60 3.07 -1.02 -2.48 117.51 119.64 2ksy h ILE 46 Ca -0.00 -0.39 -0.06 0.00 1.55 0.00 0.00 64.86 65.96 2ksy h ILE 46 Cb 0.78 -0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.25 2ksy h ILE 46 CO 0.00 0.21 -0.09 0.00 -1.05 0.00 0.00 178.15 177.22 2ksy h ALA 47 N 1.47 0.36 -0.89 0.16 0.00 -1.50 -2.24 119.26 116.61 2ksy h ALA 47 Ca 0.35 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2ksy h ALA 47 Cb -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2ksy h ALA 47 CO -0.10 0.19 0.52 0.00 0.00 0.00 0.00 179.25 179.86 2ksy h ALA 48 N 0.75 1.31 0.02 0.00 0.00 -1.04 -0.50 119.26 119.80 2ksy h ALA 48 Ca 0.06 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 48 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 48 CO 0.03 0.12 -0.97 -0.39 0.00 0.00 0.00 179.25 178.03 2ksy h VAL 49 N 0.84 1.46 -0.36 0.00 -1.51 -1.46 -2.60 116.25 112.61 2ksy h VAL 49 Ca 0.44 -2.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.17 2ksy h VAL 49 Cb 0.45 2.54 -0.02 0.00 -2.13 0.00 0.00 31.29 32.14 2ksy h VAL 49 CO -0.27 0.78 -0.17 0.00 -1.23 0.00 0.00 177.57 176.67 2ksy h ALA 50 N 0.81 1.01 -0.16 5.19 0.00 -0.73 -1.45 119.26 123.92 2ksy h ALA 50 Ca -0.07 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 2ksy h ALA 50 Cb 1.62 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2ksy h ALA 50 CO 0.16 0.59 -0.76 1.88 0.00 0.00 0.00 179.25 181.12 2ksy h TYR 51 N 0.61 1.08 -0.01 0.00 -1.99 -1.15 -1.99 116.97 113.52 2ksy h TYR 51 Ca 0.10 -0.47 -0.00 0.00 2.00 0.00 0.00 58.73 60.35 2ksy h TYR 51 Cb 0.64 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 2ksy h TYR 51 CO 0.03 1.31 0.00 0.00 -0.00 0.00 0.00 178.16 179.50 2ksy h ALA 52 N 0.56 0.01 -0.30 3.88 0.00 -1.32 0.19 119.26 122.28 2ksy h ALA 52 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2ksy h ALA 52 Cb 1.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2ksy h ALA 52 CO 0.16 -0.42 0.10 -0.39 0.00 0.00 0.00 179.25 178.70 2ksy h VAL 53 N -0.13 1.20 0.00 0.00 -1.51 -1.33 -2.47 116.25 112.01 2ksy h VAL 53 Ca 0.00 -0.63 -0.04 0.00 -1.23 0.00 0.00 66.70 64.80 2ksy h VAL 53 Cb 0.14 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2ksy h VAL 53 CO -0.00 0.21 -0.20 -0.03 -1.23 0.00 0.00 177.57 176.32 2ksy h MET 54 N 0.34 0.00 0.00 5.19 -1.53 -1.30 -1.38 114.93 116.25 2ksy h MET 54 Ca 0.10 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 2ksy h MET 54 Cb 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.28 2ksy h MET 54 CO -0.00 0.20 -0.06 0.00 0.14 0.00 0.00 176.91 177.19 2ksy h ALA 55 N 1.80 1.28 -0.00 0.39 0.00 -0.13 -0.63 119.26 121.97 2ksy h ALA 55 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 55 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 55 CO 0.03 0.07 -0.64 1.28 0.00 0.00 0.00 179.25 179.99 2ksy n LEU 56 N -3.56 0.89 -0.62 0.00 4.77 -0.54 -4.74 117.00 113.21 2ksy n LEU 56 Ca -0.02 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 2ksy n LEU 56 Cb 0.17 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2ksy n LEU 56 CO 0.27 0.20 -0.06 0.61 -1.33 0.00 0.00 177.39 177.09 2ksy n GLY 57 N 1.47 0.19 0.69 -0.72 0.00 -0.24 -4.92 105.19 101.66 2ksy n GLY 57 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.44 2ksy n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 58 N -3.95 0.50 -1.64 1.61 0.24 -1.18 -3.52 118.33 110.39 2ksy n VAL 58 Ca -0.06 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2ksy n VAL 58 Cb 0.54 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2ksy n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 59 N 0.24 0.06 3.67 7.63 0.00 -1.26 -5.01 105.19 110.51 2ksy n GLY 59 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N 0.00 2.63 -0.14 1.61 0.52 -1.23 -2.24 118.94 120.09 2ksy s TRP 60 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 56.10 56.87 2ksy s TRP 60 Cb 0.00 -3.65 -0.01 0.00 -1.15 0.00 0.00 33.47 28.66 2ksy s TRP 60 CO 0.00 -2.44 -0.14 0.54 0.02 0.00 0.00 176.95 174.93 2ksy s VAL 61 N 3.32 2.91 0.37 4.03 0.11 -0.28 -4.98 120.40 125.88 2ksy s VAL 61 Ca 0.62 -0.70 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 2ksy s VAL 61 Cb -0.27 -2.22 -0.09 0.00 -1.53 0.00 0.00 36.38 32.27 2ksy s VAL 61 CO 0.22 0.52 1.09 -2.16 -3.33 0.00 0.00 175.10 171.44 2ksy s PRO 62 N 0.50 4.26 -0.37 1.54 0.04 -1.26 -1.59 135.00 138.12 2ksy s PRO 62 Ca -0.10 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2ksy s PRO 62 Cb -0.16 -2.74 0.14 0.00 0.04 0.00 0.00 34.50 31.78 2ksy s PRO 62 CO 0.04 -0.09 0.21 0.08 0.04 0.00 0.00 177.00 177.29 2ksy s VAL 63 N -1.47 0.39 0.00 -0.36 1.01 0.86 -4.88 120.40 115.95 2ksy s VAL 63 Ca 0.54 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2ksy s VAL 63 Cb -0.27 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2ksy s VAL 63 CO 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 175.10 174.48 2ksy n ALA 64 N 4.00 0.00 -0.00 5.51 0.00 -1.26 -0.35 120.51 128.40 2ksy n ALA 64 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2ksy n ALA 64 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 0.05 -3.65 0.00 1.02 -1.26 -5.05 120.64 111.76 2ksy n GLU 65 Ca 0.00 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.93 2ksy n GLU 65 Cb 0.00 -1.02 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ksy s ARG 66 N -2.06 2.91 -0.09 3.49 1.70 0.52 -5.12 118.95 120.30 2ksy s ARG 66 Ca -0.00 -1.16 0.03 0.00 -0.47 0.00 0.00 55.73 54.13 2ksy s ARG 66 Cb 0.01 -2.64 0.01 0.00 -0.57 0.00 0.00 34.95 31.75 2ksy s ARG 66 CO 0.04 0.08 -0.19 0.99 -1.08 0.00 0.00 175.30 175.13 2ksy s THR 67 N -2.24 1.70 0.03 4.99 2.01 -1.26 -0.10 115.64 120.77 2ksy s THR 67 Ca 0.43 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2ksy s THR 67 Cb -0.08 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2ksy s THR 67 CO 0.29 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.97 2ksy s VAL 68 N 0.50 3.85 -0.30 3.82 1.01 -0.62 -4.96 120.40 123.69 2ksy s VAL 68 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2ksy s VAL 68 Cb -0.17 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2ksy s VAL 68 CO 0.06 0.29 0.13 -0.36 0.00 0.00 0.00 175.10 175.23 2ksy s PHE 69 N -1.12 3.17 0.24 5.22 0.08 -1.26 -1.13 117.98 123.17 2ksy s PHE 69 Ca 0.20 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.54 2ksy s PHE 69 Cb -0.11 -2.32 0.26 0.00 -0.57 0.00 0.00 43.02 40.28 2ksy s PHE 69 CO 0.12 -0.49 1.65 -0.24 -0.10 0.00 0.00 175.22 176.15 2ksy h VAL 70 N 5.72 1.28 0.00 -0.44 3.04 -1.83 -3.07 116.25 120.95 2ksy h VAL 70 Ca -0.32 -1.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 2ksy h VAL 70 Cb 1.14 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2ksy h VAL 70 CO 0.61 0.44 0.00 -0.65 -1.01 0.00 0.00 177.57 176.96 2ksy h PRO 71 N 0.56 0.00 0.09 4.17 0.11 -1.93 -2.64 132.00 132.37 2ksy h PRO 71 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2ksy h PRO 71 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2ksy h PRO 71 CO 0.06 0.00 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.71 2ksy h ARG 72 N 0.00 -0.12 -0.20 1.05 2.43 -1.88 -2.30 114.38 113.35 2ksy h ARG 72 Ca 0.00 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2ksy h ARG 72 Cb 0.53 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2ksy h ARG 72 CO 0.00 0.32 -0.55 1.88 -1.51 0.00 0.00 179.97 180.11 2ksy h TYR 73 N -0.94 0.76 -0.67 2.20 0.05 -1.64 -2.58 116.97 114.15 2ksy h TYR 73 Ca -0.01 -0.27 -0.07 0.00 0.05 0.00 0.00 58.73 58.43 2ksy h TYR 73 Cb 0.50 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 2ksy h TYR 73 CO 0.11 1.01 0.13 0.97 -1.05 0.00 0.00 178.16 179.33 2ksy h ILE 74 N 0.46 1.26 -0.75 -2.88 -0.00 -1.61 -2.09 117.51 111.91 2ksy h ILE 74 Ca 0.01 -1.00 0.00 0.00 -0.00 0.00 0.00 64.86 63.87 2ksy h ILE 74 Cb 1.10 0.63 -0.04 0.00 -0.00 0.00 0.00 36.82 38.51 2ksy h ILE 74 CO 0.11 0.38 0.48 -0.78 -0.00 0.00 0.00 178.15 178.34 2ksy h ASP 75 N 1.01 0.87 0.06 2.19 3.58 -1.29 -0.40 116.42 122.45 2ksy h ASP 75 Ca 0.20 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2ksy h ASP 75 Cb 0.41 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2ksy h ASP 75 CO 0.01 0.64 -0.14 -0.50 -2.88 0.00 0.00 179.24 176.37 2ksy h TRP 76 N 1.02 0.18 -0.05 0.28 6.55 -0.99 0.36 115.95 123.29 2ksy h TRP 76 Ca 0.27 -0.02 -0.13 0.00 0.95 0.00 0.00 58.89 59.96 2ksy h TRP 76 Cb -0.10 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 2ksy h TRP 76 CO 0.00 0.31 -0.56 0.82 -1.05 0.00 0.00 178.44 177.96 2ksy h ILE 77 N 0.16 1.38 0.00 1.49 2.04 -0.51 0.08 117.51 122.16 2ksy h ILE 77 Ca 0.03 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2ksy h ILE 77 Cb 0.35 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2ksy h ILE 77 CO 0.02 0.55 -0.89 0.18 0.00 0.00 0.00 178.15 178.01 2ksy n LEU 78 N -3.89 0.65 -0.09 1.44 4.77 -0.67 -4.32 117.00 114.88 2ksy n LEU 78 Ca -0.02 0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 2ksy n LEU 78 Cb 0.58 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2ksy n LEU 78 CO 0.43 -0.01 -1.03 0.35 -1.33 0.00 0.00 177.39 175.81 2ksy n THR 79 N -2.07 1.26 0.00 -5.08 -2.24 0.12 -4.43 114.28 101.84 2ksy n THR 79 Ca 0.02 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 2ksy n THR 79 Cb 0.45 -1.91 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 2ksy n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ksy h THR 80 N -0.77 0.40 -0.10 4.28 2.02 -1.18 0.23 112.91 117.79 2ksy h THR 80 Ca -0.38 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2ksy h THR 80 Cb 1.27 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2ksy h THR 80 CO -0.23 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.18 2ksy h PRO 81 N -0.32 0.00 0.02 6.66 0.11 -1.75 0.12 132.00 136.83 2ksy h PRO 81 Ca 0.10 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 2ksy h PRO 81 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2ksy h PRO 81 CO -0.31 0.00 -0.93 1.25 -0.21 0.00 0.00 178.00 177.79 2ksy h LEU 82 N 0.00 0.29 0.18 2.35 5.85 -1.20 -2.17 115.31 120.62 2ksy h LEU 82 Ca 0.05 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2ksy h LEU 82 Cb 0.39 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2ksy h LEU 82 CO -0.00 1.07 -0.09 0.40 -0.34 0.00 0.00 178.44 179.49 2ksy h ILE 83 N 0.11 0.91 -0.33 4.05 1.08 0.08 -1.94 117.51 121.47 2ksy h ILE 83 Ca -0.06 -0.89 0.02 0.00 -0.39 0.00 0.00 64.86 63.55 2ksy h ILE 83 Cb 1.58 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.73 2ksy h ILE 83 CO 0.14 0.19 0.22 -0.37 -0.69 0.00 0.00 178.15 177.64 2ksy h VAL 84 N -0.71 1.04 -0.33 1.67 -1.51 -1.51 0.65 116.25 115.55 2ksy h VAL 84 Ca -0.03 -0.13 -0.06 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 84 Cb 0.50 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 2ksy h VAL 84 CO 0.04 0.07 -0.05 0.22 -1.23 0.00 0.00 177.57 176.62 2ksy h TYR 85 N 0.37 0.55 0.17 5.19 3.20 -1.29 -1.52 116.97 123.64 2ksy h TYR 85 Ca 0.13 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2ksy h TYR 85 Cb 0.06 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2ksy h TYR 85 CO -0.00 0.57 -0.08 0.35 -1.64 0.00 0.00 178.16 177.36 2ksy h PHE 86 N 0.50 -0.21 -0.17 -3.82 3.04 -0.06 0.09 116.94 116.30 2ksy h PHE 86 Ca 0.10 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2ksy h PHE 86 Cb 0.40 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2ksy h PHE 86 CO 0.01 -0.07 0.02 -0.07 -2.02 0.00 0.00 178.31 176.19 2ksy h LEU 87 N -0.31 0.22 -0.94 0.59 4.07 -1.29 -1.03 115.31 116.63 2ksy h LEU 87 Ca -0.02 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 2ksy h LEU 87 Cb 0.24 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2ksy h LEU 87 CO 0.04 0.25 -0.44 1.23 -1.08 0.00 0.00 178.44 178.44 2ksy h GLY 88 N 0.45 0.00 1.23 0.83 0.00 -0.76 -3.06 103.07 101.76 2ksy h GLY 88 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 2ksy h GLY 88 CO -0.00 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.32 2ksy h LEU 89 N 0.00 0.90 -0.47 3.11 3.38 0.35 0.97 115.31 123.55 2ksy h LEU 89 Ca -0.00 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.47 2ksy h LEU 89 Cb 0.92 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2ksy h LEU 89 CO 0.06 1.31 0.27 -0.07 0.09 0.00 0.00 178.44 180.09 2ksy h LEU 90 N 0.58 0.42 0.00 1.67 3.38 -1.36 -3.25 115.31 116.76 2ksy h LEU 90 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ksy h LEU 90 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2ksy h LEU 90 CO 0.13 0.30 -0.00 0.00 0.09 0.00 0.00 178.44 178.96 2ksy h ALA 91 N 1.22 -0.00 0.00 1.53 0.00 -1.56 -3.45 119.26 116.99 2ksy h ALA 91 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 91 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 91 CO -0.10 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2ksy n GLY 92 N 1.67 0.81 3.70 0.00 0.00 0.33 -4.55 105.19 107.15 2ksy n GLY 92 Ca -0.05 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N 0.00 1.56 0.92 0.99 1.02 -1.19 -5.05 118.68 116.94 2ksy s LEU 93 Ca 0.00 0.94 -0.14 0.00 0.02 0.00 0.00 54.13 54.94 2ksy s LEU 93 Cb 0.00 -3.05 0.16 0.00 0.02 0.00 0.00 46.19 43.32 2ksy s LEU 93 CO 0.00 -3.17 1.24 -1.81 0.02 0.00 0.00 176.35 172.62 2ksy s ASP 94 N -3.80 3.45 0.07 2.29 1.01 -1.26 -4.87 116.67 113.56 2ksy s ASP 94 Ca 0.67 0.56 -0.25 0.00 0.71 0.00 0.00 52.55 54.23 2ksy s ASP 94 Cb -0.15 -0.83 -0.16 0.00 1.01 0.00 0.00 42.92 42.79 2ksy s ASP 94 CO 0.56 -2.55 1.63 0.77 0.21 0.00 0.00 175.17 175.79 2ksy h SER 95 N -1.51 -0.14 -0.52 0.27 4.64 -2.01 -2.47 113.55 111.82 2ksy h SER 95 Ca -0.46 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 60.73 2ksy h SER 95 Cb 1.28 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2ksy h SER 95 CO 0.50 -0.02 0.07 0.03 -0.87 0.00 0.00 176.83 176.54 2ksy h ARG 96 N -0.24 0.88 -0.33 4.77 3.08 -2.00 -2.99 114.38 117.56 2ksy h ARG 96 Ca -0.02 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 59.86 2ksy h ARG 96 Cb 0.19 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 2ksy h ARG 96 CO 0.03 0.87 -0.13 0.93 -1.07 0.00 0.00 179.97 180.60 2ksy h GLU 97 N 0.76 -0.06 -0.50 0.04 4.39 -1.91 -0.89 114.58 116.40 2ksy h GLU 97 Ca 0.16 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.92 2ksy h GLU 97 Cb 0.43 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2ksy h GLU 97 CO 0.01 -0.04 0.21 0.74 -1.16 0.00 0.00 179.01 178.77 2ksy h PHE 98 N -0.07 0.38 0.00 4.33 0.04 -1.39 -0.83 116.94 119.41 2ksy h PHE 98 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2ksy h PHE 98 Cb 0.31 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 2ksy h PHE 98 CO -0.34 0.16 -0.03 0.78 -0.60 0.00 0.00 178.31 178.28 2ksy h GLY 99 N 0.42 0.00 0.95 -1.45 0.00 -1.16 -0.97 103.07 100.86 2ksy h GLY 99 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 99 CO -0.20 0.00 -0.61 -2.22 0.00 0.00 0.00 176.54 173.51 2ksy h ILE 100 N 0.00 1.35 -0.25 2.60 2.04 0.15 -2.48 117.51 120.92 2ksy h ILE 100 Ca -0.00 -1.91 -0.13 0.00 1.00 0.00 0.00 64.86 63.81 2ksy h ILE 100 Cb 0.05 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2ksy h ILE 100 CO 0.00 0.58 -0.35 0.58 0.00 0.00 0.00 178.15 178.96 2ksy h VAL 101 N 0.20 1.31 -0.29 1.67 2.07 -0.91 -2.52 116.25 117.78 2ksy h VAL 101 Ca -0.05 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 2ksy h VAL 101 Cb 1.26 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2ksy h VAL 101 CO 0.12 0.49 0.06 0.40 0.02 0.00 0.00 177.57 178.66 2ksy h ILE 102 N 0.40 1.23 -0.48 4.57 1.08 -1.29 -2.75 117.51 120.27 2ksy h ILE 102 Ca 0.03 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 2ksy h ILE 102 Cb 0.94 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2ksy h ILE 102 CO 0.08 0.25 0.19 0.00 -0.69 0.00 0.00 178.15 177.98 2ksy h THR 103 N 0.31 1.18 0.21 -0.27 1.03 -1.49 -2.41 112.91 111.47 2ksy h THR 103 Ca 0.09 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 2ksy h THR 103 Cb 0.32 0.61 -0.02 0.00 -1.07 0.00 0.00 68.15 67.99 2ksy h THR 103 CO 0.00 0.22 -0.21 0.25 -0.01 0.00 0.00 175.52 175.77 2ksy h LEU 104 N 0.68 -0.57 -1.34 0.00 5.85 -1.21 -1.97 115.31 116.75 2ksy h LEU 104 Ca 0.17 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2ksy h LEU 104 Cb 0.14 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2ksy h LEU 104 CO -0.02 -0.31 0.52 0.78 -0.34 0.00 0.00 178.44 179.07 2ksy h ASN 105 N -0.45 0.67 -0.75 1.25 -0.26 -1.22 -1.01 115.58 113.81 2ksy h ASN 105 Ca 0.00 0.02 0.09 0.00 -0.56 0.00 0.00 56.30 55.85 2ksy h ASN 105 Cb 0.43 -0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.49 2ksy h ASN 105 CO -0.05 0.40 0.40 0.74 -1.06 0.00 0.00 177.43 177.86 2ksy h THR 106 N 0.74 0.87 -0.62 2.81 2.02 -0.87 0.11 112.91 117.98 2ksy h THR 106 Ca 0.37 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 2ksy h THR 106 Cb 0.43 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2ksy h THR 106 CO -0.14 0.12 0.04 0.58 0.37 0.00 0.00 175.52 176.50 2ksy h VAL 107 N 0.67 1.26 0.32 3.16 2.07 -0.83 -2.19 116.25 120.72 2ksy h VAL 107 Ca 0.37 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2ksy h VAL 107 Cb 0.36 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2ksy h VAL 107 CO -0.26 0.40 -0.15 0.58 0.02 0.00 0.00 177.57 178.16 2ksy h VAL 108 N 0.97 0.68 -0.73 2.57 2.07 -0.66 -2.07 116.25 119.09 2ksy h VAL 108 Ca 0.18 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 2ksy h VAL 108 Cb 0.50 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2ksy h VAL 108 CO 0.02 0.00 0.38 0.24 0.02 0.00 0.00 177.57 178.24 2ksy h MET 109 N -0.43 1.02 -0.03 1.57 2.86 -1.02 -1.83 114.93 117.07 2ksy h MET 109 Ca -0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2ksy h MET 109 Cb 0.33 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2ksy h MET 109 CO 0.07 0.78 0.01 1.25 1.06 0.00 0.00 176.91 180.08 2ksy h LEU 110 N 1.01 0.03 0.33 1.22 5.85 -1.27 -0.58 115.31 121.90 2ksy h LEU 110 Ca 0.25 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2ksy h LEU 110 Cb 0.06 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2ksy h LEU 110 CO -0.04 0.03 -0.16 0.00 -0.34 0.00 0.00 178.44 177.93 2ksy h ALA 111 N 1.97 -0.45 -0.63 1.25 0.00 -0.61 -2.56 119.26 118.24 2ksy h ALA 111 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 111 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ksy h ALA 111 CO -0.00 -0.59 0.42 0.78 0.00 0.00 0.00 179.25 179.86 2ksy h GLY 112 N -0.78 0.88 0.00 0.00 0.00 -1.21 0.22 103.07 102.19 2ksy h GLY 112 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ksy h GLY 112 CO 0.08 0.32 0.00 0.33 0.00 0.00 0.00 176.54 177.27 2ksy n PHE 113 N -4.44 0.00 0.19 5.60 -0.00 -0.26 -2.44 117.46 116.11 2ksy n PHE 113 Ca 0.06 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.63 2ksy n PHE 113 Cb 0.04 -0.25 0.67 0.00 -0.00 0.00 0.00 39.48 39.94 2ksy n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ksy h ALA 114 N -1.90 2.12 -0.44 3.13 0.00 -1.48 -2.66 119.26 118.03 2ksy h ALA 114 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2ksy h ALA 114 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2ksy h ALA 114 CO 0.00 -0.19 -0.03 0.78 0.00 0.00 0.00 179.25 179.81 2ksy h GLY 115 N 0.00 0.41 2.00 0.00 0.00 -0.44 0.20 103.07 105.24 2ksy h GLY 115 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 115 CO -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.41 2ksy h ALA 116 N 1.41 1.00 -0.58 3.60 0.00 -1.13 -3.11 119.26 120.43 2ksy h ALA 116 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ksy h ALA 116 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 116 CO -0.39 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 178.74 2ksy n MET 117 N -2.60 4.39 -2.28 0.00 0.00 -0.12 -4.83 117.12 111.68 2ksy n MET 117 Ca 0.04 -3.05 -0.36 0.00 0.00 0.00 0.00 57.70 54.33 2ksy n MET 117 Cb 0.42 -2.11 -0.01 0.00 0.00 0.00 0.00 33.22 31.53 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -2.44 3.17 -1.74 1.12 -7.23 -0.18 -4.93 120.40 108.17 2ksy s VAL 118 Ca 0.53 0.80 0.29 0.00 -1.81 0.00 0.00 61.98 61.79 2ksy s VAL 118 Cb 0.38 -3.36 0.54 0.00 0.56 0.00 0.00 36.38 34.50 2ksy s VAL 118 CO 0.19 -0.09 1.93 -0.81 -0.31 0.00 0.00 175.10 176.01 2ksy n PRO 119 N -0.90 0.78 0.00 4.82 -0.04 -1.26 -4.93 135.00 133.46 2ksy n PRO 119 Ca 0.09 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2ksy n PRO 119 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 1.23 4.05 0.77 0.55 0.00 -1.26 -4.99 105.19 105.54 2ksy n GLY 120 Ca 0.16 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.87 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 0.61 0.31 -0.61 -5.35 -1.26 -4.03 119.36 109.03 2ksy n ILE 121 Ca 0.00 -0.32 0.16 0.00 -0.27 0.00 0.00 62.75 62.32 2ksy n ILE 121 Cb 0.00 -0.38 0.71 0.00 -1.74 0.00 0.00 39.64 38.23 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.96 0.00 -0.89 6.28 4.39 -1.92 -3.03 114.58 120.36 2ksy h GLU 122 Ca 0.00 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.96 2ksy h GLU 122 Cb 0.78 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2ksy h GLU 122 CO 0.10 0.00 0.64 0.07 -1.16 0.00 0.00 179.01 178.66 2ksy h ARG 123 N 0.00 0.02 -0.09 2.33 -0.00 -1.71 0.27 114.38 115.20 2ksy h ARG 123 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 2ksy h ARG 123 Cb 0.34 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.29 2ksy h ARG 123 CO 0.00 0.01 -0.49 1.88 -0.00 0.00 0.00 179.97 181.37 2ksy h TYR 124 N 0.02 0.28 0.14 4.08 0.05 -1.86 -2.78 116.97 116.89 2ksy h TYR 124 Ca 0.43 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 2ksy h TYR 124 Cb 1.68 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.36 2ksy h TYR 124 CO -0.00 0.68 -0.07 0.00 -1.05 0.00 0.00 178.16 177.73 2ksy h ALA 125 N 1.30 -0.18 -0.04 3.88 0.00 -0.68 -0.09 119.26 123.46 2ksy h ALA 125 Ca 0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 125 Cb 0.94 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2ksy h ALA 125 CO 0.08 -0.41 -0.28 -0.07 0.00 0.00 0.00 179.25 178.57 2ksy h LEU 126 N -0.58 -0.84 -1.25 0.00 -0.00 -1.52 -1.59 115.31 109.53 2ksy h LEU 126 Ca -0.02 0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2ksy h LEU 126 Cb 0.45 0.35 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2ksy h LEU 126 CO 0.03 -0.34 0.19 0.15 -0.00 0.00 0.00 178.44 178.47 2ksy h PHE 127 N -0.40 0.71 -0.71 1.13 3.57 -1.55 -1.69 116.94 118.00 2ksy h PHE 127 Ca 0.07 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.69 2ksy h PHE 127 Cb 0.51 -0.22 -0.12 0.00 2.79 0.00 0.00 35.95 38.90 2ksy h PHE 127 CO -0.33 0.56 -0.02 0.78 -2.23 0.00 0.00 178.31 177.07 2ksy h GLY 128 N 0.85 0.75 1.88 2.40 0.00 0.01 0.78 103.07 109.74 2ksy h GLY 128 Ca 0.17 0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 2ksy h GLY 128 CO -0.02 -0.26 -0.56 1.98 0.00 0.00 0.00 176.54 177.69 2ksy h MET 129 N 0.09 0.13 -0.85 4.80 1.85 -1.16 -2.91 114.93 116.89 2ksy h MET 129 Ca 0.38 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.38 2ksy h MET 129 Cb 0.64 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.64 2ksy h MET 129 CO -0.63 0.65 0.50 0.78 -0.40 0.00 0.00 176.91 177.81 2ksy h GLY 130 N 1.54 1.23 0.44 1.39 0.00 0.13 0.18 103.07 107.98 2ksy h GLY 130 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2ksy h GLY 130 CO 0.08 0.50 -0.04 0.00 0.00 0.00 0.00 176.54 177.08 2ksy h ALA 131 N 1.27 -0.11 -1.01 3.60 0.00 -0.67 0.16 119.26 122.51 2ksy h ALA 131 Ca 0.30 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 131 Cb -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 131 CO -0.06 -0.28 0.64 0.28 0.00 0.00 0.00 179.25 179.83 2ksy h VAL 132 N -0.68 0.95 -0.24 0.00 2.07 -1.44 -0.32 116.25 116.58 2ksy h VAL 132 Ca -0.01 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 2ksy h VAL 132 Cb 0.54 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2ksy h VAL 132 CO 0.02 0.19 -0.51 0.00 0.02 0.00 0.00 177.57 177.29 2ksy h ALA 133 N 1.53 0.66 0.12 1.67 0.00 -0.62 -2.55 119.26 120.07 2ksy h ALA 133 Ca 0.49 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 133 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 133 CO -0.25 0.68 -0.20 0.35 0.00 0.00 0.00 179.25 179.83 2ksy h PHE 134 N 0.52 -0.52 -0.48 0.00 3.57 0.10 -0.78 116.94 119.35 2ksy h PHE 134 Ca 0.02 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2ksy h PHE 134 Cb 1.06 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2ksy h PHE 134 CO 0.05 -0.29 0.32 0.82 -2.23 0.00 0.00 178.31 176.98 2ksy h ILE 135 N -0.38 0.98 -0.94 1.41 2.04 -1.29 -0.66 117.51 118.68 2ksy h ILE 135 Ca 0.02 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2ksy h ILE 135 Cb 0.40 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2ksy h ILE 135 CO -0.10 0.08 0.61 1.23 0.00 0.00 0.00 178.15 179.97 2ksy h GLY 136 N 0.43 1.37 0.82 5.37 0.00 -0.73 0.18 103.07 110.50 2ksy h GLY 136 Ca 0.21 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 136 CO -0.05 0.41 -0.19 -2.00 0.00 0.00 0.00 176.54 174.71 2ksy h LEU 137 N 1.20 0.50 -0.93 3.11 5.85 -0.35 -2.67 115.31 122.01 2ksy h LEU 137 Ca 0.37 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.70 2ksy h LEU 137 Cb -0.01 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2ksy h LEU 137 CO -0.12 0.87 0.58 0.58 -0.34 0.00 0.00 178.44 180.01 2ksy h VAL 138 N 0.14 0.99 -0.32 1.05 2.07 -0.97 -1.51 116.25 117.70 2ksy h VAL 138 Ca 0.03 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2ksy h VAL 138 Cb 0.73 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2ksy h VAL 138 CO 0.05 0.18 0.18 0.22 0.02 0.00 0.00 177.57 178.22 2ksy h TYR 139 N 0.99 0.34 -0.90 1.57 3.20 -0.86 -2.17 116.97 119.13 2ksy h TYR 139 Ca 0.43 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.44 2ksy h TYR 139 Cb 0.30 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2ksy h TYR 139 CO -0.02 0.20 0.58 1.88 -1.64 0.00 0.00 178.16 179.15 2ksy h TYR 140 N 0.37 0.89 0.07 -3.82 0.05 -0.94 0.17 116.97 113.77 2ksy h TYR 140 Ca 0.13 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2ksy h TYR 140 Cb 0.01 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.47 2ksy h TYR 140 CO -0.08 0.35 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.28 2ksy h LEU 141 N 0.77 -0.08 -0.74 3.88 3.38 -0.96 -1.79 115.31 119.77 2ksy h LEU 141 Ca 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2ksy h LEU 141 Cb 0.62 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ksy h LEU 141 CO -0.21 -0.01 0.00 0.58 0.09 0.00 0.00 178.44 178.89 2ksy h VAL 142 N -0.14 0.00 0.00 1.22 2.07 -1.02 -2.91 116.25 115.48 2ksy h VAL 142 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2ksy h VAL 142 Cb 0.11 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ksy h VAL 142 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2ksy n GLY 143 N 0.07 -1.31 0.34 2.17 0.00 0.51 -4.45 105.19 102.52 2ksy n GLY 143 Ca 0.02 -1.09 0.18 0.00 0.00 0.00 0.00 46.02 45.13 2ksy n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 144 N 0.00 0.00 -0.34 1.61 0.11 -1.84 -1.58 132.00 129.96 2ksy h PRO 144 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2ksy h PRO 144 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2ksy h PRO 144 CO 0.00 0.00 0.23 0.52 -0.21 0.00 0.00 178.00 178.54 2ksy h MET 145 N 0.00 0.20 -0.02 1.05 2.86 -1.70 0.10 114.93 117.42 2ksy h MET 145 Ca 0.06 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2ksy h MET 145 Cb 0.45 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2ksy h MET 145 CO -0.00 0.13 -0.14 1.15 1.06 0.00 0.00 176.91 179.11 2ksy h THR 146 N 0.20 1.52 0.00 2.22 2.02 -1.07 -2.76 112.91 115.04 2ksy h THR 146 Ca 0.15 -1.72 -0.12 0.00 0.77 0.00 0.00 66.41 65.49 2ksy h THR 146 Cb 0.35 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2ksy h THR 146 CO -0.03 0.47 -0.58 -0.33 0.37 0.00 0.00 175.52 175.42 2ksy h GLU 147 N -0.50 0.00 -0.07 6.66 5.08 -1.60 -1.86 114.58 122.28 2ksy h GLU 147 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2ksy h GLU 147 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2ksy h GLU 147 CO 0.03 0.58 -0.11 1.03 -1.00 0.00 0.00 179.01 179.54 2ksy h SER 148 N 0.00 0.22 -0.10 1.42 0.87 -0.88 -2.89 113.55 112.19 2ksy h SER 148 Ca -0.01 -0.53 -0.15 0.00 -1.23 0.00 0.00 61.79 59.87 2ksy h SER 148 Cb 1.09 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2ksy h SER 148 CO 0.08 0.71 -0.54 0.00 -0.53 0.00 0.00 176.83 176.55 2ksy h ALA 149 N 0.52 0.20 0.00 6.23 0.00 -1.54 -2.29 119.26 122.38 2ksy h ALA 149 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ksy h ALA 149 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 149 CO 0.02 0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.14 2ksy n SER 150 N -4.20 0.00 -0.10 0.00 2.88 -0.70 -1.56 113.62 109.94 2ksy n SER 150 Ca -0.08 0.38 0.04 0.00 -1.33 0.00 0.00 58.87 57.88 2ksy n SER 150 Cb 0.62 -0.42 0.06 0.00 -0.75 0.00 0.00 64.21 63.72 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksy n GLN 151 N -1.42 1.52 -0.10 -1.46 6.02 -1.09 -4.76 117.38 116.09 2ksy n GLN 151 Ca 0.03 -1.79 -0.19 0.00 -0.01 0.00 0.00 57.00 55.03 2ksy n GLN 151 Cb 0.08 -1.09 -0.09 0.00 1.02 0.00 0.00 30.24 30.16 2ksy n GLN 151 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2ksy n ARG 152 N -0.78 0.54 -3.88 -1.09 3.00 -0.60 -5.01 116.66 108.83 2ksy n ARG 152 Ca 0.07 0.54 -0.08 0.00 -0.00 0.00 0.00 57.85 58.38 2ksy n ARG 152 Cb 0.51 -1.72 -0.02 0.00 0.00 0.00 0.00 32.46 31.24 2ksy n ARG 152 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ksy s SER 153 N -6.68 -0.10 0.16 6.15 0.01 -1.25 -5.01 113.70 106.97 2ksy s SER 153 Ca -0.27 -0.85 -0.08 0.00 1.31 0.00 0.00 55.95 56.06 2ksy s SER 153 Cb 0.06 0.73 0.01 0.00 0.21 0.00 0.00 66.02 67.03 2ksy s SER 153 CO 0.51 -1.40 1.47 0.77 0.41 0.00 0.00 173.24 175.00 2ksy h SER 154 N 2.05 0.87 0.28 2.44 4.64 -1.93 -3.18 113.55 118.71 2ksy h SER 154 Ca -0.24 -0.43 -0.28 0.00 -0.47 0.00 0.00 61.79 60.37 2ksy h SER 154 Cb 1.25 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2ksy h SER 154 CO 0.30 1.20 -1.19 1.23 -0.87 0.00 0.00 176.83 177.51 2ksy h GLY 155 N 0.84 0.57 0.34 -0.77 0.00 -1.96 -3.31 103.07 98.78 2ksy h GLY 155 Ca 0.03 -1.20 0.11 0.00 0.00 0.00 0.00 47.33 46.27 2ksy h GLY 155 CO 0.10 1.05 0.31 -2.22 0.00 0.00 0.00 176.54 175.79 2ksy h ILE 156 N 0.22 0.77 -0.06 2.60 1.08 -1.85 -0.63 117.51 119.64 2ksy h ILE 156 Ca -0.16 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.08 2ksy h ILE 156 Cb 1.86 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 2ksy h ILE 156 CO 0.22 0.09 -0.26 0.07 -0.69 0.00 0.00 178.15 177.58 2ksy h LYS 157 N 0.51 0.10 -0.04 2.37 2.10 -1.63 0.47 116.57 120.44 2ksy h LYS 157 Ca 0.36 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 2ksy h LYS 157 Cb 0.46 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2ksy h LYS 157 CO -0.32 0.36 -0.10 1.03 -2.00 0.00 0.00 179.45 178.42 2ksy h SER 158 N 0.09 0.16 0.59 7.07 0.87 -1.24 -2.30 113.55 118.79 2ksy h SER 158 Ca 0.01 -0.58 -0.12 0.00 -1.23 0.00 0.00 61.79 59.88 2ksy h SER 158 Cb 0.51 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2ksy h SER 158 CO 0.04 0.71 -0.57 -0.07 -0.53 0.00 0.00 176.83 176.41 2ksy h LEU 159 N -0.38 0.00 -0.17 2.23 4.07 -1.22 -2.84 115.31 117.00 2ksy h LEU 159 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2ksy h LEU 159 Cb 0.69 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 2ksy h LEU 159 CO 0.02 0.57 -0.25 0.22 -1.08 0.00 0.00 178.44 177.91 2ksy h TYR 160 N 0.00 0.58 -0.48 1.13 3.20 -0.92 -1.48 116.97 118.99 2ksy h TYR 160 Ca -0.01 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.60 2ksy h TYR 160 Cb 1.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2ksy h TYR 160 CO 0.00 0.89 0.01 -0.39 -1.64 0.00 0.00 178.16 177.03 2ksy h VAL 161 N 0.11 1.26 -0.27 1.81 -1.51 -1.42 0.14 116.25 116.38 2ksy h VAL 161 Ca 0.02 -1.04 -0.07 0.00 -1.23 0.00 0.00 66.70 64.38 2ksy h VAL 161 Cb 0.83 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 2ksy h VAL 161 CO 0.06 0.36 -0.10 0.03 -1.23 0.00 0.00 177.57 176.69 2ksy h ARG 162 N 0.70 0.54 0.18 5.19 3.08 -1.55 -2.63 114.38 119.88 2ksy h ARG 162 Ca 0.14 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2ksy h ARG 162 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2ksy h ARG 162 CO 0.02 0.77 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.54 2ksy h LEU 163 N 0.28 -0.20 -0.90 3.04 4.07 -1.24 -2.78 115.31 117.58 2ksy h LEU 163 Ca 0.06 -0.33 0.14 0.00 0.08 0.00 0.00 57.88 57.83 2ksy h LEU 163 Cb 0.60 0.05 -0.09 0.00 1.08 0.00 0.00 40.66 42.30 2ksy h LEU 163 CO 0.03 0.31 0.51 -0.09 -1.08 0.00 0.00 178.44 178.12 2ksy h ARG 164 N -0.82 0.73 0.15 1.13 1.12 -0.82 0.29 114.38 116.16 2ksy h ARG 164 Ca -0.02 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2ksy h ARG 164 Cb 0.52 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2ksy h ARG 164 CO 0.04 0.48 -0.07 -0.91 -3.11 0.00 0.00 179.97 176.40 2ksy h ASN 165 N 0.75 -0.17 0.09 -3.80 -0.26 -1.54 -2.61 115.58 108.03 2ksy h ASN 165 Ca 0.48 -0.26 -0.09 0.00 -0.56 0.00 0.00 56.30 55.86 2ksy h ASN 165 Cb 0.61 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 2ksy h ASN 165 CO -0.33 0.19 -0.30 0.17 -1.06 0.00 0.00 177.43 176.10 2ksy h LEU 166 N -0.56 0.33 0.33 1.61 -0.00 -1.17 -2.84 115.31 113.02 2ksy h LEU 166 Ca -0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2ksy h LEU 166 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2ksy h LEU 166 CO 0.03 0.62 -0.16 0.74 -0.00 0.00 0.00 178.44 179.68 2ksy h THR 167 N 0.29 0.69 -1.00 0.15 2.02 -0.43 -2.74 112.91 111.88 2ksy h THR 167 Ca 0.04 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 66.97 2ksy h THR 167 Cb 0.68 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 2ksy h THR 167 CO 0.05 0.06 0.66 1.62 0.37 0.00 0.00 175.52 178.28 2ksy h VAL 168 N -0.60 1.21 0.34 3.16 3.04 -1.46 0.45 116.25 122.40 2ksy h VAL 168 Ca -0.05 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 2ksy h VAL 168 Cb 0.43 -0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 29.50 2ksy h VAL 168 CO 0.07 0.24 -0.23 0.58 -1.01 0.00 0.00 177.57 177.22 2ksy h VAL 169 N 1.31 0.00 0.00 1.51 2.07 -1.44 0.21 116.25 119.91 2ksy h VAL 169 Ca 0.38 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.87 2ksy h VAL 169 Cb -0.07 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2ksy h VAL 169 CO -0.10 0.00 -0.15 0.17 0.02 0.00 0.00 177.57 177.50 2ksy h LEU 170 N -0.54 0.00 -0.67 2.57 8.10 -1.45 -1.91 115.31 121.41 2ksy h LEU 170 Ca -0.04 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 2ksy h LEU 170 CO 0.03 0.15 -0.63 -0.50 -4.11 0.00 0.00 178.44 173.38 2ksy h TRP 171 N 0.00 0.16 0.00 0.17 4.06 -0.75 -2.52 115.95 117.07 2ksy h TRP 171 Ca -0.00 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2ksy h TRP 171 Cb 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2ksy h TRP 171 CO 0.00 0.72 0.00 0.00 -3.56 0.00 0.00 178.44 175.60 2ksy n ALA 172 N -2.45 2.01 0.10 1.49 0.00 0.73 -2.34 120.51 120.05 2ksy n ALA 172 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ksy n ALA 172 Cb 0.63 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.88 -0.22 0.00 1.08 -1.37 -3.36 117.51 114.53 2ksy h ILE 173 Ca 0.00 -2.33 0.05 0.00 -0.39 0.00 0.00 64.86 62.19 2ksy h ILE 173 Cb 0.20 2.38 -0.05 0.00 -3.07 0.00 0.00 36.82 36.28 2ksy h ILE 173 CO 0.00 0.50 -0.10 1.88 -0.69 0.00 0.00 178.15 179.74 2ksy h TYR 174 N 0.00 -0.23 -1.47 1.37 -1.99 -1.57 -1.44 116.97 111.64 2ksy h TYR 174 Ca -0.05 0.02 0.43 0.00 2.00 0.00 0.00 58.73 61.13 2ksy h TYR 174 Cb 1.50 0.14 -0.06 0.00 2.00 0.00 0.00 36.73 40.31 2ksy h TYR 174 CO 0.00 -0.16 1.05 -1.35 -0.00 0.00 0.00 178.16 177.71 2ksy h PRO 175 N -0.07 0.01 0.01 4.88 0.11 -1.77 -0.02 132.00 135.16 2ksy h PRO 175 Ca 0.12 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2ksy h PRO 175 Cb 0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ksy h PRO 175 CO -0.27 0.01 -0.12 0.74 -0.21 0.00 0.00 178.00 178.15 2ksy h PHE 176 N 0.01 0.03 -0.67 0.65 0.04 -1.50 -3.07 116.94 112.43 2ksy h PHE 176 Ca 0.70 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.43 2ksy h PHE 176 Cb 2.79 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.91 2ksy h PHE 176 CO -0.00 1.05 0.35 0.82 -0.60 0.00 0.00 178.31 179.92 2ksy h ILE 177 N -0.96 1.21 -0.11 -0.55 1.08 -0.71 0.18 117.51 117.65 2ksy h ILE 177 Ca -0.03 -0.55 -0.11 0.00 -0.39 0.00 0.00 64.86 63.79 2ksy h ILE 177 Cb 1.06 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2ksy h ILE 177 CO -0.00 0.24 -0.35 -0.25 -0.69 0.00 0.00 178.15 177.10 2ksy h TRP 178 N 0.94 0.56 -0.04 1.37 7.01 -1.39 0.12 115.95 124.52 2ksy h TRP 178 Ca 0.24 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2ksy h TRP 178 Cb 0.06 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2ksy h TRP 178 CO 0.01 0.96 -0.01 1.25 -2.79 0.00 0.00 178.44 177.86 2ksy h LEU 179 N 0.00 0.08 0.04 0.65 7.12 -1.41 -1.17 115.31 120.62 2ksy h LEU 179 Ca -0.01 -0.36 -0.14 0.00 0.13 0.00 0.00 57.88 57.50 2ksy h LEU 179 Cb 0.97 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 41.10 2ksy h LEU 179 CO 0.07 0.42 -0.56 -0.07 -0.13 0.00 0.00 178.44 178.17 2ksy h LEU 180 N -0.26 0.43 -9.72 2.25 3.38 -0.76 0.30 115.31 110.93 2ksy h LEU 180 Ca 0.01 -0.83 -0.33 0.00 0.09 0.00 0.00 57.88 56.82 2ksy h LEU 180 Cb 0.38 -0.13 0.19 0.00 0.09 0.00 0.00 40.66 41.19 2ksy h LEU 180 CO 0.00 1.21 -0.18 0.61 0.09 0.00 0.00 178.44 180.17 2ksy n GLY 181 N 1.26 -3.45 0.28 0.83 0.00 0.42 -0.36 105.19 104.16 2ksy n GLY 181 Ca -0.11 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.52 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -3.37 0.20 0.00 1.61 0.11 -1.84 0.46 132.00 129.18 2ksy h PRO 182 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ksy h PRO 182 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ksy h PRO 182 CO 0.24 0.13 0.06 -0.35 -0.21 0.00 0.00 178.00 177.87 2ksy n PRO 183 N -5.22 0.00 0.00 1.05 -0.04 -1.26 -4.06 135.00 125.47 2ksy n PRO 183 Ca 0.15 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2ksy n PRO 183 Cb 0.50 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2ksy n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 184 N -1.43 0.36 0.00 0.55 0.00 -0.05 -4.29 105.19 100.33 2ksy n GLY 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ksy n GLY 184 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 185 N -0.35 0.00 -2.94 1.61 0.24 0.09 -4.99 118.33 111.99 2ksy n VAL 185 Ca 0.00 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.80 2ksy n VAL 185 Cb 0.00 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 33.48 2ksy n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy n ALA 186 N -0.34 -2.95 -0.10 2.33 0.00 0.12 -4.92 120.51 114.65 2ksy n ALA 186 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 53.44 53.88 2ksy n ALA 186 Cb 0.03 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 2ksy n ALA 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 187 N 0.28 1.99 0.00 0.00 4.77 0.51 -4.89 117.00 119.65 2ksy n LEU 187 Ca 0.03 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2ksy n LEU 187 Cb 0.34 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2ksy n LEU 187 CO 0.42 0.41 0.00 0.18 -1.33 0.00 0.00 177.39 177.07 2ksy n LEU 188 N -4.27 0.00 -4.81 2.23 4.77 -1.26 -5.09 117.00 108.57 2ksy n LEU 188 Ca -0.37 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 2ksy n LEU 188 Cb 0.77 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2ksy n LEU 188 CO 0.18 0.00 -0.02 -0.89 -1.33 0.00 0.00 177.39 175.33 2ksy s THR 189 N 2.28 5.27 0.30 -5.08 2.01 -1.26 -4.91 115.64 114.24 2ksy s THR 189 Ca 0.00 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.59 2ksy s THR 189 Cb 0.00 -3.59 0.30 0.00 0.01 0.00 0.00 72.50 69.22 2ksy s THR 189 CO 0.00 0.52 1.67 -0.65 -0.69 0.00 0.00 174.62 175.47 2ksy h PRO 190 N 5.53 0.30 -0.58 4.92 0.11 -1.99 0.15 132.00 140.44 2ksy h PRO 190 Ca -0.49 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2ksy h PRO 190 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2ksy h PRO 190 CO 0.66 0.20 0.04 1.79 -0.21 0.00 0.00 178.00 180.47 2ksy h THR 191 N 0.31 1.26 0.16 -1.15 1.35 -1.98 -1.74 112.91 111.11 2ksy h THR 191 Ca 0.58 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2ksy h THR 191 Cb 1.17 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2ksy h THR 191 CO -0.59 0.38 -0.07 0.58 -0.25 0.00 0.00 175.52 175.57 2ksy h VAL 192 N 0.90 0.93 -0.44 6.82 2.07 -1.22 -2.37 116.25 122.94 2ksy h VAL 192 Ca 0.17 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.68 2ksy h VAL 192 Cb 0.47 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2ksy h VAL 192 CO 0.02 0.23 0.07 -0.78 0.02 0.00 0.00 177.57 177.13 2ksy h ASP 193 N -0.80 -0.03 -0.98 0.57 3.58 -0.99 -1.33 116.42 116.44 2ksy h ASP 193 Ca -0.02 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2ksy h ASP 193 Cb 0.53 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 2ksy h ASP 193 CO 0.04 0.02 0.64 0.58 -2.88 0.00 0.00 179.24 177.64 2ksy h VAL 194 N 0.20 1.26 -0.70 2.25 2.07 -1.40 -2.25 116.25 117.67 2ksy h VAL 194 Ca 0.21 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.37 2ksy h VAL 194 Cb 0.28 -0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 29.78 2ksy h VAL 194 CO -0.30 0.25 0.29 0.00 0.02 0.00 0.00 177.57 177.84 2ksy h ALA 195 N 1.36 0.97 -0.29 1.67 0.00 -0.69 -0.35 119.26 121.92 2ksy h ALA 195 Ca 0.36 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 2ksy h ALA 195 Cb -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ksy h ALA 195 CO -0.08 -0.16 -0.31 -0.07 0.00 0.00 0.00 179.25 178.63 2ksy h LEU 196 N 0.47 0.64 0.94 0.00 3.38 -1.06 -2.30 115.31 117.38 2ksy h LEU 196 Ca 0.37 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2ksy h LEU 196 Cb 0.50 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2ksy h LEU 196 CO -0.35 0.91 -0.45 0.40 0.09 0.00 0.00 178.44 179.04 2ksy h ILE 197 N 0.53 0.02 -0.81 1.22 1.08 -0.57 0.19 117.51 119.16 2ksy h ILE 197 Ca 0.06 -0.07 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 2ksy h ILE 197 Cb 0.79 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 2ksy h ILE 197 CO 0.07 0.00 0.54 -0.37 -0.69 0.00 0.00 178.15 177.69 2ksy h VAL 198 N -1.32 0.80 -0.60 1.67 -1.51 -1.23 0.13 116.25 114.18 2ksy h VAL 198 Ca -0.13 -0.18 -0.06 0.00 -1.23 0.00 0.00 66.70 65.11 2ksy h VAL 198 Cb 0.97 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 2ksy h VAL 198 CO 0.21 0.09 0.15 0.22 -1.23 0.00 0.00 177.57 177.01 2ksy h TYR 199 N 0.52 1.01 -0.38 5.19 3.20 -1.06 -0.42 116.97 125.03 2ksy h TYR 199 Ca 0.40 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2ksy h TYR 199 Cb 0.82 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2ksy h TYR 199 CO -0.00 0.86 0.22 -0.07 -1.64 0.00 0.00 178.16 177.53 2ksy h LEU 200 N 0.88 0.36 -0.78 2.82 3.38 0.21 0.28 115.31 122.45 2ksy h LEU 200 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2ksy h LEU 200 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2ksy h LEU 200 CO 0.00 0.26 -0.46 0.44 0.09 0.00 0.00 178.44 178.77 2ksy h ASP 201 N 0.45 0.36 0.00 -0.43 3.32 -1.29 -2.53 116.42 116.30 2ksy h ASP 201 Ca 0.15 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2ksy h ASP 201 Cb 0.01 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2ksy h ASP 201 CO -0.07 0.77 -0.22 0.25 -1.72 0.00 0.00 179.24 178.25 2ksy h LEU 202 N 0.27 0.37 -0.07 1.55 6.46 -0.46 -3.03 115.31 120.41 2ksy h LEU 202 Ca 0.02 -0.11 -0.25 0.00 -0.12 0.00 0.00 57.88 57.41 2ksy h LEU 202 Cb 0.92 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.76 2ksy h LEU 202 CO 0.08 0.61 -1.04 0.58 -0.62 0.00 0.00 178.44 178.05 2ksy h VAL 203 N 0.34 1.38 0.00 1.05 2.07 -0.76 -2.22 116.25 118.11 2ksy h VAL 203 Ca 0.06 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2ksy h VAL 203 Cb 0.59 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2ksy h VAL 203 CO 0.04 0.75 0.00 0.41 0.02 0.00 0.00 177.57 178.79 2ksy n THR 204 N -3.74 0.00 0.00 2.57 -1.04 -0.97 -0.11 114.28 110.99 2ksy n THR 204 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2ksy n THR 204 Cb 0.89 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.90 0.00 0.42 12.58 0.31 -0.84 -2.30 118.33 127.61 2ksy n VAL 206 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 2ksy n VAL 206 Cb 0.02 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.14 0.49 2.92 0.00 -0.53 -1.91 103.07 102.89 2ksy h GLY 207 Ca 0.00 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.82 2ksy h GLY 207 CO 0.00 -0.42 0.08 0.74 0.00 0.00 0.00 176.54 176.95 2ksy h PHE 208 N -1.26 0.13 -0.74 5.60 -1.00 -1.38 0.07 116.94 118.36 2ksy h PHE 208 Ca -0.11 0.03 0.18 0.00 2.81 0.00 0.00 57.97 60.87 2ksy h PHE 208 Cb 0.85 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.37 2ksy h PHE 208 CO -0.00 0.01 0.51 0.78 -1.61 0.00 0.00 178.31 178.00 2ksy h GLY 209 N 0.21 0.40 0.71 -1.45 0.00 -1.75 2.04 103.07 103.23 2ksy h GLY 209 Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 209 CO -0.26 0.02 -0.25 0.74 0.00 0.00 0.00 176.54 176.79 2ksy h PHE 210 N 0.22 0.45 0.00 5.60 0.04 -0.17 0.20 116.94 123.27 2ksy h PHE 210 Ca 0.36 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 2ksy h PHE 210 Cb 1.10 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 2ksy h PHE 210 CO -0.00 0.86 -0.23 0.82 -0.60 0.00 0.00 178.31 179.16 2ksy h ILE 211 N -0.10 0.91 -0.45 -0.55 1.08 -0.26 -2.29 117.51 115.86 2ksy h ILE 211 Ca -0.00 -0.86 -0.14 0.00 -0.39 0.00 0.00 64.86 63.46 2ksy h ILE 211 Cb 0.86 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 2ksy h ILE 211 CO 0.05 0.22 -0.26 0.00 -0.69 0.00 0.00 178.15 177.48 2ksy h ALA 212 N 1.77 0.64 0.27 1.87 0.00 0.36 -2.27 119.26 121.91 2ksy h ALA 212 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2ksy h ALA 212 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ksy h ALA 212 CO 0.03 0.67 -0.13 -0.07 0.00 0.00 0.00 179.25 179.75 2ksy h LEU 213 N 0.82 -0.31 -0.13 0.00 3.38 -0.10 -2.14 115.31 116.83 2ksy h LEU 213 Ca 0.10 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 213 Cb 0.85 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2ksy h LEU 213 CO 0.08 0.15 -0.07 -0.78 0.09 0.00 0.00 178.44 177.90 2ksy h ASP 214 N -0.88 -0.23 0.37 -0.43 3.58 -1.52 0.19 116.42 117.50 2ksy h ASP 214 Ca -0.04 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2ksy h ASP 214 Cb 0.51 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2ksy h ASP 214 CO 0.06 -0.10 -0.28 0.00 -2.88 0.00 0.00 179.24 176.04 2ksy h ALA 215 N 1.05 -0.65 -0.12 -0.78 0.00 -1.51 -2.31 119.26 114.94 2ksy h ALA 215 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 215 Cb 0.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ksy h ALA 215 CO -0.17 -0.89 0.05 0.00 0.00 0.00 0.00 179.25 178.23 2ksy h ALA 216 N -0.11 1.87 -0.49 0.00 0.00 -1.24 -1.26 119.26 118.03 2ksy h ALA 216 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 216 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 216 CO -0.00 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.53 2ksy h ALA 217 N 1.89 1.38 -0.01 0.00 0.00 -0.09 -1.98 119.26 120.46 2ksy h ALA 217 Ca 0.04 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 217 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ksy h ALA 217 CO -0.00 0.46 -0.88 1.15 0.00 0.00 0.00 179.25 179.97 2ksy h THR 218 N 0.70 1.44 -0.72 0.00 2.02 -0.75 -1.34 112.91 114.26 2ksy h THR 218 Ca 0.17 -2.49 -0.02 0.00 0.77 0.00 0.00 66.41 64.83 2ksy h THR 218 Cb 0.18 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 2ksy h THR 218 CO -0.01 0.73 0.36 -0.07 0.37 0.00 0.00 175.52 176.90 2ksy h LEU 219 N 0.17 0.93 0.00 2.58 3.38 -0.80 -0.48 115.31 121.09 2ksy h LEU 219 Ca -0.06 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 219 Cb 1.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2ksy h LEU 219 CO 0.14 0.78 -1.04 0.03 0.09 0.00 0.00 178.44 178.44 2ksy h ARG 220 N 1.02 0.00 0.00 1.13 3.08 -1.38 -3.31 114.38 114.92 2ksy h ARG 220 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2ksy h ARG 220 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2ksy h ARG 220 CO -0.03 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 2ksy h ALA 221 N 1.32 1.00 0.00 0.04 0.00 -0.80 -3.11 119.26 117.71 2ksy h ALA 221 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 221 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2ksy h ALA 221 CO 0.07 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 2ksy n GLU 222 N -3.07 0.11 0.01 0.00 -0.00 -0.23 -3.61 120.64 113.86 2ksy n GLU 222 Ca 0.03 0.34 -0.01 0.00 -0.00 0.00 0.00 57.16 57.53 2ksy n GLU 222 Cb 0.47 -1.70 -0.00 0.00 -0.00 0.00 0.00 31.44 30.20 2ksy n GLU 222 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2ksy h HIS 223 N 0.00 -0.04 0.00 -1.84 3.86 -1.75 -3.49 115.15 111.90 2ksy h HIS 223 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ksy h HIS 223 Cb 0.32 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2ksy h HIS 223 CO 0.00 -0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.18 2ksy n GLY 224 N 1.32 -0.00 3.64 2.45 0.00 -1.24 -5.12 105.19 106.24 2ksy n GLY 224 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ksy n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksy s GLU 225 N 0.00 3.92 0.01 1.61 0.41 -1.26 -5.00 118.70 118.39 2ksy s GLU 225 Ca 0.00 1.89 0.06 0.00 -0.41 0.00 0.00 54.97 56.51 2ksy s GLU 225 Cb 0.00 -4.03 -0.03 0.00 -1.78 0.00 0.00 34.13 28.29 2ksy s GLU 225 CO 0.00 -1.16 -0.17 -1.12 -0.49 0.00 0.00 175.26 172.33 2ksy s SER 226 N 4.08 3.86 -0.02 -0.19 0.01 -1.26 -4.98 113.70 115.21 2ksy s SER 226 Ca 0.74 -0.35 0.20 0.00 1.31 0.00 0.00 55.95 57.85 2ksy s SER 226 Cb -0.29 -0.68 -0.27 0.00 0.21 0.00 0.00 66.02 64.99 2ksy s SER 226 CO 0.29 0.29 0.62 0.18 0.41 0.00 0.00 173.24 175.03 2ksy n LEU 227 N 1.82 0.41 -2.11 2.44 7.99 -1.26 -4.97 117.00 121.31 2ksy n LEU 227 Ca -0.16 -0.22 -0.13 0.00 -0.01 0.00 0.00 56.01 55.48 2ksy n LEU 227 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 2ksy n LEU 227 CO 0.26 0.10 -0.16 0.00 -1.51 0.00 0.00 177.39 176.09 2ksy n ALA 228 N -1.89 -0.59 0.00 -1.18 0.00 -1.26 -4.85 120.51 110.75 2ksy n ALA 228 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2ksy n ALA 228 Cb 0.44 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2ksy n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 229 N -0.65 1.07 3.19 0.00 0.00 -1.26 -5.17 105.19 102.37 2ksy n GLY 229 Ca -0.15 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2ksy n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 230 N -2.00 1.31 -0.60 1.61 -7.23 -1.26 -5.11 120.40 107.12 2ksy s VAL 230 Ca 0.00 -1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 2ksy s VAL 230 Cb 0.00 -1.19 0.15 0.00 0.56 0.00 0.00 36.38 35.91 2ksy s VAL 230 CO 0.00 -0.01 0.50 -1.81 -0.31 0.00 0.00 175.10 173.47 2ksy s ASP 231 N -1.38 5.99 -0.17 4.85 1.11 -1.26 -5.04 116.67 120.77 2ksy s ASP 231 Ca 0.03 -2.26 0.01 0.00 0.18 0.00 0.00 52.55 50.51 2ksy s ASP 231 Cb -0.09 -2.07 0.02 0.00 1.07 0.00 0.00 42.92 41.85 2ksy s ASP 231 CO 0.02 -0.64 -0.19 0.42 1.18 0.00 0.00 175.17 175.96 2ksy s THR 232 N 0.84 1.96 -0.18 -1.27 -4.23 -1.26 -4.99 115.64 106.50 2ksy s THR 232 Ca 0.10 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 2ksy s THR 232 Cb -0.22 -1.77 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 2ksy s THR 232 CO -0.03 0.52 -0.22 -0.90 -0.54 0.00 0.00 174.62 173.45 2ksy n ASP 233 N 4.59 1.60 -4.21 3.99 5.75 -1.26 -5.05 116.55 121.96 2ksy n ASP 233 Ca -0.20 0.16 -0.19 0.00 -0.01 0.00 0.00 54.79 54.55 2ksy n ASP 233 Cb 0.50 -0.49 -0.12 0.00 -1.03 0.00 0.00 41.12 39.98 2ksy n ASP 233 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ksy s THR 234 N -2.34 1.28 0.24 2.12 -4.23 -1.26 -5.12 115.64 106.33 2ksy s THR 234 Ca -0.26 -1.46 -0.31 0.00 -1.18 0.00 0.00 61.69 58.48 2ksy s THR 234 Cb 0.09 -1.28 -0.13 0.00 1.34 0.00 0.00 72.50 72.52 2ksy s THR 234 CO 0.34 -0.25 1.48 -2.65 -0.54 0.00 0.00 174.62 173.01 2ksy n PRO 235 N 1.04 2.21 -2.59 3.99 -0.02 -1.26 -4.93 135.00 133.45 2ksy n PRO 235 Ca -0.19 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2ksy n PRO 235 Cb 0.55 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ksy s ALA 236 N 0.14 3.63 0.37 3.55 0.00 -1.26 -5.03 121.76 123.17 2ksy s ALA 236 Ca 0.69 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 2ksy s ALA 236 Cb -0.62 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 18.85 2ksy s ALA 236 CO 0.47 -1.00 0.84 0.54 0.00 0.00 0.00 175.76 176.61 2ksy s VAL 237 N 3.05 4.53 0.02 0.00 0.11 -1.26 -5.01 120.40 121.85 2ksy s VAL 237 Ca 0.48 1.22 -0.02 0.00 -2.93 0.00 0.00 61.98 60.73 2ksy s VAL 237 Cb -0.18 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 2ksy s VAL 237 CO 0.11 -0.24 -0.05 0.00 -3.33 0.00 0.00 175.10 171.59 2ksy n ALA 238 N -0.47 2.72 -2.96 1.54 0.00 -1.26 -5.03 120.51 115.04 2ksy n ALA 238 Ca 0.05 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2ksy n ALA 238 Cb 0.53 0.31 -0.12 0.00 0.00 0.00 0.00 19.45 20.17 2ksy n ALA 238 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ksy s ASP 239 N -5.74 4.77 -0.33 0.00 1.47 -1.26 -5.08 116.67 110.49 2ksy s ASP 239 Ca -0.05 -0.14 -0.23 0.00 1.18 0.00 0.00 52.55 53.31 2ksy s ASP 239 Cb 0.01 -1.78 0.00 0.00 -0.34 0.00 0.00 42.92 40.82 2ksy s ASP 239 CO 0.06 0.17 0.79 -0.22 0.68 0.00 0.00 175.17 176.66 2ksy s LEU 240 N 0.36 4.10 0.13 2.11 1.98 -1.26 -5.04 118.68 121.06 2ksy s LEU 240 Ca -0.04 0.54 0.10 0.00 -2.89 0.00 0.00 54.13 51.84 2ksy s LEU 240 Cb -0.14 -3.06 -0.04 0.00 0.66 0.00 0.00 46.19 43.60 2ksy s LEU 240 CO 0.03 -0.67 -0.23 -1.61 -1.89 0.00 0.00 176.35 171.99 2ksy s GLU 241 N 3.03 1.59 0.75 1.98 0.41 -1.26 -5.14 118.70 120.06 2ksy s GLU 241 Ca 0.32 -1.30 -0.07 0.00 -0.41 0.00 0.00 54.97 53.51 2ksy s GLU 241 Cb -0.14 -1.98 0.10 0.00 -1.78 0.00 0.00 34.13 30.33 2ksy s GLU 241 CO 0.14 0.45 1.06 -3.38 -0.49 0.00 0.00 175.26 173.05 2ksy s HIS 242 N -1.19 2.40 0.13 1.61 -3.43 -1.26 -5.06 115.29 108.48 2ksy s HIS 242 Ca 0.17 0.26 -0.25 0.00 -0.80 0.00 0.00 55.06 54.44 2ksy s HIS 242 Cb -0.10 -3.32 -0.07 0.00 -1.43 0.00 0.00 32.58 27.66 2ksy s HIS 242 CO 0.08 -1.69 0.76 -1.58 -2.00 0.00 0.00 174.74 170.31 2ksy s HIS 243 N -3.33 3.85 0.35 0.38 2.46 -1.26 -5.07 115.29 112.67 2ksy s HIS 243 Ca 0.64 1.57 0.07 0.00 0.47 0.00 0.00 55.06 57.80 2ksy s HIS 243 Cb -0.08 -2.76 -0.01 0.00 -0.13 0.00 0.00 32.58 29.60 2ksy s HIS 243 CO 0.46 0.45 0.47 -1.01 -2.47 0.00 0.00 174.74 172.64 2ksy s HIS 244 N -0.84 3.04 -0.54 3.88 3.76 -1.26 -5.04 115.29 118.29 2ksy s HIS 244 Ca 0.36 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.73 2ksy s HIS 244 Cb -0.22 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.45 2ksy s HIS 244 CO 0.25 -0.05 1.34 -1.01 -0.85 0.00 0.00 174.74 174.42 2ksy s HIS 245 N -2.22 2.41 0.18 1.40 3.76 -1.26 -5.00 115.29 114.56 2ksy s HIS 245 Ca 0.46 0.50 0.05 0.00 -0.15 0.00 0.00 55.06 55.93 2ksy s HIS 245 Cb -0.09 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 2ksy s HIS 245 CO 0.31 -1.84 0.16 -1.01 -0.85 0.00 0.00 174.74 171.51 2ksy s HIS 246 N 5.60 3.17 0.00 1.40 3.76 -1.26 -5.36 115.29 122.60 2ksy s HIS 246 Ca 0.51 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 2ksy s HIS 246 Cb -0.10 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.09 2ksy s HIS 246 CO 0.27 0.52 0.35 1.58 -0.85 0.00 0.00 174.74 176.60